3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C16H9BrF3N3O2 MolecularWeight: 412.16077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H9BrF3N3O2/c17-9-4-5-12-11(7-9)13(23-15(22-12)16(18,19)20)21-10-3-1-2-8(6-10)14(24)25/h1-7H,(H,24,25)(H,21,22,23)